Indole-3-carboxylic acid
3115
Reference
Indole-3-carboxylic acid Structure
Systematic / IUPAC Name: 1H-Indole-3-carboxylic acid
ID: Reference3115
Other Names:
3-Carboxyindole;
3-Indoleformate;
β-Indolylcarboxylic acid;
3-Indole carboxylic;
3-Indolecarboxylate
; more
Formula: C9H7NO2
Class: Endogenous Metabolites
Spectral Data
Indole-3-carboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 77 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/15/2015 7:45:01 AM |
Identificators
| InChI | InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12) |
| InChI Key | KMAKOBLIOCQGJP-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C2C(=C1)C(=CN2)C(=O)O |
| CAS | 771506 |
| Splash | |
| Other Names |
3-Carboxyindole; 3-Indoleformate; β-Indolylcarboxylic acid; 3-Indole carboxylic; 3-Indolecarboxylate; 3-Indolecarboxylic acid; 3-Indoleformic acid; 3-Indolylcarboxylate; 3-Indolylcarboxylic acid; Indole-3-carboxylate; Indole-3-carboxylicacid; ICO |